Geometry & MOs

Info

ID:	355505
PubChem CID:	127288568
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	3.05
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations